3-[1-oxidanylidene-4-(3-sulfopropoxy)phthalazin-2-yl]propane-1-sulfonic acid

Systemtic Name: 3-[1-oxidanylidene-4-(3-sulfopropoxy)phthalazin-2-yl]propane-1-sulfonic acid Openeye Name: 3-[1-oxo-4-(3-sulfopropoxy)phthalazin-2-yl]propane-1-sulfonic acid CAS Name: 3-[1-oxo-4-(3-sulfopropoxy)-2-phthalazinyl]-1-propanesulfonic acid IUPAC Name: 3-[1-oxo-4-(3-sulfopropoxy)phthalazin-2-yl]propane-1-sulfonic acid Traditional Name: 3-[1-keto-4-(3-sulfopropoxy)phthalazin-2-yl]propane-1-sulfonic acid Formula: C14H18N2O8S2 MolecularWeight: 406.43132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCCS(=O)(=O)O)OCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCCS(=O)(=O)O)OCCCS(=O)(=O)O

InChI

InChI=1S/C14H18N2O8S2/c17-14-12-6-2-1-5-11(12)13(24-8-4-10-26(21,22)23)15-16(14)7-3-9-25(18,19)20/h1-2,5-6H,3-4,7-10H2,(H,18,19,20)(H,21,22,23)